Theoretical study of the surface structure of anatase nanoparticles: effect on dye adsorption and photovoltaic properties

2020 ◽  
Vol 44 (40) ◽  
pp. 17267-17276
Author(s):  
Nadezhda Palko ◽  
Vladimir Potemkin ◽  
Maria Grishina
Keyword(s):  
Surface Structure ◽  
Theoretical Study ◽  
Dye Adsorption ◽  
Photovoltaic Properties ◽  
Anatase Nanoparticles ◽  
Size And Morphology

The properties of TiO2 can vary greatly, depending on the size and morphology of the particles used.

Effects of Anthryl Groups on the Charge Transport and Photovoltaic Properties of Small Triarylamine-Based Donor-Acceptor Molecules: A Joint Experimental and Theoretical Study

2017 ◽  
Vol 2 (22) ◽  
pp. 6296-6303 ◽  
Author(s):  
Yue Jiang ◽  
Clément Cabanetos ◽  
Siriporn Jungsuttiwong ◽  
Domenico Alberga ◽  
Carlo Adamo ◽  
...  
Keyword(s):  
Charge Transport ◽  
Theoretical Study ◽  
Photovoltaic Properties ◽  
Donor Acceptor ◽  
Acceptor Molecules

scholarly journals Correction: Dye adsorption mechanisms in TiO2 films, and their effects on the photodynamic and photovoltaic properties in dye-sensitized solar cells

2016 ◽  
Vol 18 (7) ◽  
pp. 5659-5659 ◽  
Author(s):  
Kyung-Jun Hwang ◽  
Wang-Geun Shim ◽  
Dajung Kim ◽  
Jongdeok An ◽  
Chan Im ◽  
...  
Keyword(s):  
Solar Cells ◽  
Dye Sensitized Solar Cells ◽  
Dye Adsorption ◽  
Chem Phys ◽  
Tio2 Films ◽  
Photovoltaic Properties ◽  
Adsorption Mechanisms ◽  
Dye Sensitized ◽  
Sensitized Solar Cells ◽  
Phys Chem Chem Phys

Correction for ‘Dye adsorption mechanisms in TiO2 films, and their effects on the photodynamic and photovoltaic properties in dye-sensitized solar cells’ by Kyung-Jun Hwang et al., Phys. Chem. Chem. Phys., 2015, 17, 21974–21981.

Theoretical Study of Phenothiazine Organic Dyes with Different Spacers for Dye-Sensitised Solar Cells

2019 ◽  
Vol 72 (4) ◽  
pp. 244
Author(s):  
Ihssène Ouared ◽  
Mâammar Rekhis ◽  
Mohamed Trari
Keyword(s):  
Solar Cells ◽  
Absorption Maximum ◽  
Density Functional ◽  
Theoretical Study ◽  
Organic Dyes ◽  
Photovoltaic Properties ◽  
Functional Theory ◽  
Acceptor Group ◽  
Overall Efficiency ◽  
Acid Unit

In this paper, six organic dyes have been studied by density functional theory (DFT). The electron-acceptor group is the cyanoacrylic acid unit for all sensitisers, and the electron-donor unit is a phenothiazine (PTZ) fragment substituted by an ethynyl-pyrene unit; the π-linker was varied, and the influence was investigated. The dye bearing the divinylthiophene linker showed the highest absorption maximum. The theoretical photovoltaic properties revealed that the overall efficiency of the solar cell could be remarkably improved using the designed dyes. The results indicated that all of the studied organic dyes are good candidates as photosensitisers for dye-sensitised solar cells (DSSCs).

Surface structure and morphology evolution of iron borides under dynamic conditions: A theoretical study

2020 ◽  
Vol 525 ◽  
pp. 146462 ◽  
Author(s):  
Hongliu Wan ◽  
Xing-Wu Liu ◽  
Ming Qing ◽  
Qing Peng ◽  
Yu Zhang ◽  
...  
Keyword(s):  
Surface Structure ◽  
Theoretical Study ◽  
Morphology Evolution ◽  
Dynamic Conditions ◽  
Structure And Morphology

A theoretical study on the size and morphology dependency of integral melting enthalpy and entropy of nanomaterials

2020 ◽  
Vol 138 ◽  
pp. 109269 ◽  
Author(s):  
Qingshan Fu ◽  
Hongxu Gao ◽  
Wengang Qu ◽  
Fengqi Zhao ◽  
Yongqiang Xue ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Melting Enthalpy ◽  
Enthalpy And Entropy ◽  
Size And Morphology

scholarly journals Theoretical Study of Effects of Anchoring Groups on Photovoltaic Properties of a Triarylamine-Based p-Type Sensitizer

ACS Omega ◽  
2020 ◽  
Vol 5 (36) ◽  
pp. 23491-23496
Author(s):  
Su-Qin Zhou ◽  
Qi-Ying Xia ◽  
Li-Xiao Kong ◽  
Karuppasamy Ayyanar ◽  
Xue-Hai Ju
Keyword(s):  
Theoretical Study ◽  
Photovoltaic Properties ◽  
Anchoring Groups ◽  
P Type
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